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PUBCHEM-ZINC02583076

 MMsINC code: MMs02904371
Type: Neutral
Formula: C11H19NO4S
SMILES:   S1CN(C(OC(C)(C)C)=O)C(C(O)=O)C1(C)C
InChI:   InChI=1/C11H19NO4S/c1-10(2,3)16-9(15)12-6-17-11(4,5)7(12)8(13)14/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=43.737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.342 g/mol  logS: -2.21205  SlogP: 2.1596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113657  Sterimol/B1: 3.36089  Sterimol/B2: 3.99283  Sterimol/B3: 4.2173
  Sterimol/B4: 4.58556  Sterimol/L: 13.1435 
 
 Surface and Volume Properties
  Accessible surface: 465.747  Positive charged surface: 301.3  Negative charged surface: 164.447  Volume: 243.125
  Hydrophobic surface: 254.67  Hydrophilic surface: 211.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02904372
PUBCHEM-ZINC02583076